PubChemLite - Pg(10:0/10:0) (C26H51O10P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCC

InChI

InChI=1S/C26H51O10P/c1-3-5-7-9-11-13-15-17-25(29)33-21-24(22-35-37(31,32)34-20-23(28)19-27)36-26(30)18-16-14-12-10-8-6-4-2/h23-24,27-28H,3-22H2,1-2H3,(H,31,32)/t23-,24+/m0/s1

InChIKey

IOLZSQRFJBMYSU-BJKOFHAPSA-N

Compound name

[(2R)-2-decanoyloxy-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxypropyl] decanoate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	555.32924	236.5
[M+Na]+	577.31118	237.6
[M-H]-	553.31468	231.9
[M+NH4]+	572.35578	241.3
[M+K]+	593.28512	235.7
[M+H-H2O]+	537.31922	227.8
[M+HCOO]-	599.32016	237.9
[M+CH3COO]-	613.33581	245.3
[M+Na-2H]-	575.29663	219.2
[M]+	554.32141	234.4
[M]-	554.32251	234.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

555.32924

236.5

[M+Na]+

577.31118

237.6

[M-H]-

553.31468

231.9

[M+NH4]+

572.35578

241.3

[M+K]+

593.28512

235.7

[M+H-H2O]+

537.31922

227.8

[M+HCOO]-

599.32016

237.9

[M+CH3COO]-

613.33581

245.3

[M+Na-2H]-

575.29663

219.2

[M]+

554.32141

234.4

[M]-

554.32251

234.4

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Pg(10:0/10:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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